| SpectraBase Spectrum ID |
Eku8sZQ3KQB |
| Name |
Benzeneethanamine, 3-methoxy-.alpha.,.alpha.-dimethyl-4-(phenylmethoxy)-N-propyl-, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.219829176 u |
| Formula |
C21H29NO2 |
| InChI |
InChI=1S/C21H29NO2/c1-5-13-22-21(2,3)15-18-11-12-19(20(14-18)23-4)24-16-17-9-7-6-8-10-17/h6-12,14,22H,5,13,15-16H2,1-4H3 |
| InChIKey |
SURNXBPSNKAUEI-UHFFFAOYSA-N |
| Molecular Weight |
327.468 g/mol |
| SMILES |
C=1(C(OCC=2C=CC=CC2)=CC=C(C1)CC(NCCC)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976864 |
